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PO_3687114014345118827908448 | 3687114014345118827908448067163264973909807306458279743251427911694956927183240930952099627091240949671525261885358042035442603657847672591579904976918539 | 2025-04-17T17:35:57 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -75.657997 | [
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PO_3687370759426154899634558 | 368737075942615489963455872136187746517663765747431334985213046299691000034927414001925635681070532472746934825413719557212553749506037432848368171597428 | 2025-04-16T16:07:30 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -59.687355 | [
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[
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PO_3696212691561913541764493 | 3696212691561913541764493193087554409616386768881268091689097495117666342469418587449860463000748517200821296215346644017955806803687635996905520383772592 | 2025-04-16T20:49:43 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -163.051407 | [
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0.3... | [
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[
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PO_3696578614586197028195959 | 3696578614586197028195959493004382772856367087696870944960567987464826043637526204449986512750248742195675446350557332401826881054900673343254751379085413 | 2025-04-16T15:14:08 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -63.169361 | [
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PO_3701671143552892788407335 | 3701671143552892788407335867796574040278686399672054599399394345122311669586087789461697836080560085650570937948805368326045348445673760989513152552033517 | 2025-04-16T21:14:40 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -82.977676 | [
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PO_3702562342243903338343907 | 3702562342243903338343907569185469061632846477362756177383951882127010786924774337595940658864695076542379553693220730849773190777737143112895568391472114 | 2025-04-16T17:21:07 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -81.560783 | [
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PO_3312819137783242064304803 | 3312819137783242064304803187559837439719641533135658468326874680603280937057955889163178276486777192930830389595818525462775289595403420171444910243534520 | 2025-04-16T17:44:43 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -18.918243 | [
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PO_3319081639904986800973057 | 3319081639904986800973057066284575034881653053155971456433012641941281707558641084995661730213092012200050540097490007904714866469747346323270795588571239 | 2025-04-16T17:47:42 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -80.523796 | [
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PO_3335300095026559891922107 | 3335300095026559891922107992909739552117288005721438234628278629545231443768337357185033233371083203282925560109192554571794776466898766310717240282106959 | 2025-04-16T20:33:21 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -57.830959 | [
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PO_3380635358019020311861475 | 3380635358019020311861475368747937879147760276877221778203545865661728680206766238633879390738693819810786207479716053892239692367281013186502661322010330 | 2025-04-16T15:44:13 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -49.681808 | [
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PO_3401216250633271428717163 | 340121625063327142871716381603037435905464605176112516541893297050203330015803840831548689908620687311386279417474154468707222161323741272971535566389927 | 2025-04-16T17:31:22 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -10.82238 | [
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PO_3406363235231220181651102 | 3406363235231220181651102103161077994284652875901001376216298079021233288054496737219567710455761660139771612996772594895962395332994489689085701024736316 | 2025-04-16T21:43:25 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -74.208878 | [
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[
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[
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[
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[
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[
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[
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[
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true,
true
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1
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47,
47,
47,
47,
47,
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0,
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PO_3426676976883604769266989 | 342667697688360476926698963194707018925628543002056002557220325728943363660947949488484904503143868166668034220957186124130344932326846644069383463678525 | 2025-04-16T15:43:44 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -74.668106 | [
[
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[
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[
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[
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[
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true,
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true
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1
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] | null | data/MD/8121/MD_1213582242930949697188121.json | data/MD/0665/MD_8328333280534599668480665.json | null | {"materials-project-id": "mp-124", "temperature": 1260, "hash": "8328333280534599668480665244495013534205131916250553748395247603575458621133451557343901170867215808609131575955333758669127640608507517902470598063908496", "id": "MD_8328333280534599668480665"} | {"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR... |
PO_3426725749618683319902872 | 3426725749618683319902872083274669930936137783314953451659726105949467155080517539225767499286335937974473712809087090878957019107692732063393942859391179 | 2025-04-16T16:44:56 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -16.760302 | [
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[
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PO_3431003636679862307251131 | 3431003636679862307251131485372565096228297440467888030235281895437044101192447342645843043866996916513173026870547382307497847782768675080859090699819479 | 2025-04-16T20:44:25 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -49.61375 | [
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[
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1
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PO_3433938513767518178374699 | 3433938513767518178374699688689067951718984283611383917042664807484517296624265903298191333748792475075171314568349790375493104232348374249381408479402980 | 2025-04-16T21:28:46 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -80.663948 | [
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[
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[
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true,
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true
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] | null | data/MD/8121/MD_1213582242930949697188121.json | data/MD/0361/MD_1328667921261992109900361.json | null | {"materials-project-id": "mp-10597", "temperature": 1260, "hash": "13286679212619921099003614589661135797502845301679723817575449411011993163331085690675936048892081785590016785954832167051919897906318395360960558655412066", "id": "MD_1328667921261992109900361"} | {"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR... |
PO_3430374597081709517895371 | 3430374597081709517895371273408771884056682579379898844539050975755103849696218274339164673146740787931307583737877554665104509143495939246204189079869729 | 2025-04-16T21:56:50 | DS_q4h7q8q0fnve_0 | 1 | VASP | DFT-PBE | -86.356964 | [
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... | [
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] | null | data/MD/8121/MD_1213582242930949697188121.json | data/MD/0032/MD_1901264063649552057980032.json | null | {"materials-project-id": "mp-124", "temperature": 315, "hash": "1901264063649552057980032765360091244306129156863244765520539936315517545718139405924156609694941144556195633664429638527201258218040275372883302651202181", "id": "MD_1901264063649552057980032"} | {"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR... |
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